Compound Identification
SMILES
[H][C@@]1(C[C@](O)(C(=O)O1)[C@@]1([H])CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@]([H])(O[C@]4([H])O[C@]([H])(COC(C)=O)[C@@]([H])(O)[C@]([H])(O[C@]5([H])OC[C@@]([H])(O)[C@]([H])(O)[C@@]5([H])O)[C@@]4([H])O[C@]4([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]4([H])O)C(C)(C)[C@@]3([H])CC[C@@]21C)C=C(C)C
InChIKey
InChIKey=AXBJYHWXSQPRFA-RLWQWHIDSA-N
Formula
C49H78O18
Mass
955.145
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene glycosides
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Level 5
Triterpene glycosides
- Level 6 Triterpene saponins
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Level 5
Triterpene glycosides
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Subclass
Terpene glycosides
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Triterpene glycosides
Direct Parent
Triterpene saponins
Alternative Parents
Triterpenoids Steroidal glycosides Oligosaccharides Steroid lactones 14-alpha-methylsteroids Hydroxysteroids O-glycosyl compounds Dicarboxylic acids and derivatives Gamma butyrolactones Oxanes Tertiary alcohols Tetrahydrofurans Secondary alcohols Carboxylic acid esters Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Steroidal glycoside - Oligosaccharide - Steroid lactone - 20-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - Steroid - Glycosyl compound - O-glycosyl compound - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxane - Tertiary alcohol - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Carbonyl group - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
External Descriptors
Not available